cyclopropyl(4-methylpyridin-2-yl)methanamine

• ChemBase ID: 308814
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: C1(CC1)C(c1nccc(c1)C)N
• Canonical SMILES: NC(c1nccc(c1)C)C1CC1
• InChI: InChI=1S/C10H14N2/c1-7-4-5-12-9(6-7)10(11)8-2-3-8/h4-6,8,10H,2-3,11H2,1H3
• InChIKey: XUWOXHQFBDZVDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: cyclopropyl(4-methylpyridin-2-yl)methanamine
• Synonyms: 1-cyclopropyl-1-(4-methyl-2-pyridinyl)methanamine

Database IDs

• CAS Number: 1203308-27-3
• MDL Number: MFCD12198082

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4077402
• LogD (pH = 7.4): -0.02199377
• Log P: 1.4687687
• Molar Refractivity: 48.5808 cm^3
• Polarizability: 19.369377 Å^3
• Polar Surface Area: 38.91 Å^2